PubChemLite - 609795-11-1 (C24H24N2O3S2)

Structural Information

Molecular Formula

SMILES

CCOCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)C)/SC1=S

InChI

InChI=1S/C24H24N2O3S2/c1-3-29-14-6-13-25-23(28)21(31-24(25)30)20-18-7-4-5-8-19(18)26(22(20)27)15-17-11-9-16(2)10-12-17/h4-5,7-12H,3,6,13-15H2,1-2H3/b21-20-

InChIKey

IWYWQCUZYJVXFM-MRCUWXFGSA-N

Compound name

(5Z)-3-(3-ethoxypropyl)-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	453.13011	209.9
[M+Na]+	475.11205	219.4
[M-H]-	451.11555	218.2
[M+NH4]+	470.15665	222.5
[M+K]+	491.08599	211.4
[M+H-H2O]+	435.12009	203.6
[M+HCOO]-	497.12103	218.4
[M+CH3COO]-	511.13668	218.6
[M+Na-2H]-	473.09750	201.9
[M]+	452.12228	215.4
[M]-	452.12338	215.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

453.13011

209.9

[M+Na]+

475.11205

219.4

[M-H]-

451.11555

218.2

[M+NH4]+

470.15665

222.5

[M+K]+

491.08599

211.4

[M+H-H2O]+

435.12009

203.6

[M+HCOO]-

497.12103

218.4

[M+CH3COO]-

511.13668

218.6

[M+Na-2H]-

473.09750

201.9

[M]+

452.12228

215.4

[M]-

452.12338

215.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

609795-11-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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